In-Silico Structure Database (LMISSD)
Common Name
PA(38:0/22:2(13Z,16Z))
Systematic Name
1-octatriacontanoyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP10019FIJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1036.879908
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
GQLLMBIAZFREFD-SQMISQGRSA-N
InChi (Click to copy)
InChI=1S/C63H121O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-47-49-51-53-55-57-62(64)69-59-61(60-70-72(66,67)68)71-63(65)58-56-54-52-50-48-46-44-42-39-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,61H,3-11,13,15-17,19,21-60H2,1-2H3,(H2,66,67,68)/b14-12-,20-18-/t61-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O